CID 134812115

(9e,15e)-heptadec-9,15-trien-11,13-diyn-4-one

Structural Information

Molecular Formula
C17H22O
SMILES
CCCC(=O)CCCC/C=C/C#CC#C/C=C/C
InChI
InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3,5,10-11H,4,12-16H2,1-2H3/b5-3+,11-10+
InChIKey
IIFDEYOLAIRRBS-SALZOXGJSA-N
Compound name
(9E,15E)-heptadeca-9,15-dien-11,13-diyn-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 164.7
[M+Na]+ 265.15629 173.0
[M-H]- 241.15979 165.1
[M+NH4]+ 260.20089 176.6
[M+K]+ 281.13023 167.6
[M+H-H2O]+ 225.16433 151.0
[M+HCOO]- 287.16527 172.9
[M+CH3COO]- 301.18092 216.3
[M+Na-2H]- 263.14174 163.6
[M]+ 242.16652 158.3
[M]- 242.16762 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.